N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine

C16H24N2 — CID 4719006

IUPACN-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine
SMILESCn1cccc1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24N2/c1-18-4-2-3-15(18)11-17-16-8-12-5-13(9-16)7-14(6-12)10-16/h2-4,12-14,17H,5-11H2,1H3
InChIKeyXBVYMVILKMAPLK-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.08
Rot. Bonds3

About N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine

N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine (PubChem CID 4719006) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine
PubChem CID4719006
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine
SMILESCn1cccc1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24N2/c1-18-4-2-3-15(18)11-17-16-8-12-5-13(9-16)7-14(6-12)10-16/h2-4,12-14,17H,5-11H2,1H3
InChIKeyXBVYMVILKMAPLK-UHFFFAOYSA-N
XLogP3.08
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine (CID 4719006) is N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine is Cn1cccc1CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine?
The InChIKey is XBVYMVILKMAPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-18-4-2-3-15(18)11-17-16-8-12-5-13(9-16)7-14(6-12)10-16/h2-4,12-14,17H,5-11H2,1H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine?
N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 4719006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).